N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-hydroxy-2-phenylpropanamide

C17H20N2O3 — CID 154832762

IUPACN-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-hydroxy-2-phenylpropanamide
SMILESCc1c[nH]c(CNC(=O)C(CO)c2ccccc2)c(C)c1=O
InChIInChI=1S/C17H20N2O3/c1-11-8-18-15(12(2)16(11)21)9-19-17(22)14(10-20)13-6-4-3-5-7-13/h3-8,14,20H,9-10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyUVFFIXMHGARFRS-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.38
Rot. Bonds5

About N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-hydroxy-2-phenylpropanamide

N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-hydroxy-2-phenylpropanamide (PubChem CID 154832762) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-hydroxy-2-phenylpropanamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-hydroxy-2-phenylpropanamide
PubChem CID154832762
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-hydroxy-2-phenylpropanamide
SMILESCc1c[nH]c(CNC(=O)C(CO)c2ccccc2)c(C)c1=O
InChIInChI=1S/C17H20N2O3/c1-11-8-18-15(12(2)16(11)21)9-19-17(22)14(10-20)13-6-4-3-5-7-13/h3-8,14,20H,9-10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyUVFFIXMHGARFRS-UHFFFAOYSA-N
XLogP1.38
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-hydroxy-2-phenylpropanamide
CID 13215112
3-hydroxy-N-methyl-2-phenylpropanamide
CID 13215111
N-ethoxy-3-hydroxy-2-phenylpropanamide
CID 121218721
ethyl 5-[(2-phenylpent-4-enoylamino)methyl]-1H-imidazole-4-carboxylate
CID 136570972
CID 87209027
CID 87209027
3-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-phenylpropanamide;dihydrochloride
CID 119869372
3-amino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide
CID 62879092
2-phenyl-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 110410528
(2S)-N-(furan-2-ylmethyl)-2-phenylbutanamide
CID 40538690
2-[4-[(3-hydroxy-2-phenylpropanoyl)amino]phenyl]propanoic acid
CID 70598523
N-[(4-methylphenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide
CID 110409246
3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2-phenylpropanamide
CID 119718321

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-hydroxy-2-phenylpropanamide?
The IUPAC name of N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-hydroxy-2-phenylpropanamide (CID 154832762) is N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-hydroxy-2-phenylpropanamide.
What is the SMILES notation for N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-hydroxy-2-phenylpropanamide?
The canonical SMILES for N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-hydroxy-2-phenylpropanamide is Cc1c[nH]c(CNC(=O)C(CO)c2ccccc2)c(C)c1=O.
What is the InChIKey of N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-hydroxy-2-phenylpropanamide?
The InChIKey is UVFFIXMHGARFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11-8-18-15(12(2)16(11)21)9-19-17(22)14(10-20)13-6-4-3-5-7-13/h3-8,14,20H,9-10H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-hydroxy-2-phenylpropanamide?
N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-hydroxy-2-phenylpropanamide has a molecular weight of 300.36 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-hydroxy-2-phenylpropanamide is sourced from PubChem (CID 154832762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).